SCHEMBL4521665

SCHEMBL4521665

Oc1cccc2c1Oc1cc(-c3cccnc3)ccc1C2C1CC2CCC(C1)N2Cc1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ BRAF P15056 4/20 0.34
▸ CYP11B2 P19099 2/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4518047 0.89 CLK4 (0.37) OPRM1OPRK1KCNH2CLK4KMT2A
SCHEMBL4508235 0.88 KCNH2 (0.36) OPRM1OPRK1KCNH2CYP2D6HSD17B10
SCHEMBL5096921 0.87 ABCB1 (0.40) CLK4KMT2AMEN1BRAFCYP11B2
SCHEMBL4517596 0.85 OPRM1 (0.37) OPRM1OPRK1KCNH2BRAFCYP11B2
SCHEMBL4510811 0.85 OPRM1 (0.33) OPRM1OPRK1KCNH2BRAFCYP11B2
SCHEMBL4519661 0.83 HRH3 (0.35) OPRM1OPRK1KCNH2BRAFCYP11B2
SCHEMBL4511833 0.80 OPRM1 (0.38) OPRM1OPRK1KCNH2KMT2AMEN1
SCHEMBL4519581 0.79 CYP2D6 (0.43) OPRM1OPRK1KCNH2KMT2AMEN1
SCHEMBL4511841 0.78 CYP11B1 (0.38) BRAFCYP11B2CYP1A2CYP11B1
SCHEMBL4508291 0.77 KCNH2 (0.37) OPRM1OPRK1KCNH2CYP11B2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US claimed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 — — EP claimed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO claimed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 — — US claimed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 — — EP disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 OPRM1 4/4885OPRK1 2/4885KCNH2 618/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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